Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.34 |
| ▸ | FNTB | P49356 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 7/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15211425 | 0.88 | ABCB11 (0.35) | ABCB11ALDH1A1ESR1KDM4EHTT | |
| SCHEMBL15211424 | 0.82 | ESR1 (0.45) | ABCB11ESR1KDM4EHTTTP53 | |
| SCHEMBL15211378 | 0.73 | CA2 (0.40) | ABCB11ESR1CNR2ESR2 | |
| SCHEMBL15211548 | 0.70 | ESR1 (0.40) | ALDH1A1FNTAFNTBESR1KDM4E | |
| SCHEMBL15211443 | 0.69 | ABCB11 (0.40) | ABCB11ALDH1A1HTTMAPTLMNA | |
| SCHEMBL15212672 | 0.68 | FFAR1 (0.45) | ALDH1A1ESR1KDM4EHTTCNR2 | |
| SCHEMBL16325280 | 0.68 | ALDH1A1 (0.49) | ALDH1A1FNTAFNTBKDM4ETP53 | |
| SCHEMBL15211287 | 0.68 | KDM4E (0.38) | ABCB11ALDH1A1ESR1KDM4EHTT | |
| SCHEMBL4131978 | 0.65 | ALDH1A1 (0.43) | ALDH1A1KDM4EMAPTGAAHSD17B10 | |
| SCHEMBL10744028 | 0.65 | CNR2 (0.43) | ALDH1A1KDM4EHTTTP53MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2838891-A1 | AROMATIC RING COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-02-25 | — | — | EP | disclosed |
| WO-2013125732-A1 | AROMATIC RING COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-29 | — | — | WO | disclosed |